Receptor
PDB id Resolution Class Description Source Keywords
4CFU 2.2 Å EC: 2.7.11.22 STRUCTURE-BASED DESIGN OF C8-SUBSTITUTED O6- CYCLOHEXYLMETHOXYGUANINE CDK1 AND 2 INHIBITORS. HOMO SAPIENS TRANSFERASE STRUCTURE-BASED DRUG DESIGN CONFORMATIONAL RESREVERSED BINDING MODE
Ref.: 8-SUBSTITUTED O6-CYCLOHEXYLMETHYLGUANINE CDK2 INHIB USING STRUCTURE-BASED INHIBITOR DESIGN TO OPTIMISE ALTERNATIVE BINDING MODE. J.MED.CHEM. V. 57 56 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:1300;
D:1433;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
2WC C:1297;
A:1299;
Valid;
Valid;
none;
none;
submit data
381.428 C20 H23 N5 O3 Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CFU 2.2 Å EC: 2.7.11.22 STRUCTURE-BASED DESIGN OF C8-SUBSTITUTED O6- CYCLOHEXYLMETHOXYGUANINE CDK1 AND 2 INHIBITORS. HOMO SAPIENS TRANSFERASE STRUCTURE-BASED DRUG DESIGN CONFORMATIONAL RESREVERSED BINDING MODE
Ref.: 8-SUBSTITUTED O6-CYCLOHEXYLMETHYLGUANINE CDK2 INHIB USING STRUCTURE-BASED INHIBITOR DESIGN TO OPTIMISE ALTERNATIVE BINDING MODE. J.MED.CHEM. V. 57 56 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4CFU - 2WC C20 H23 N5 O3 Cc1c(cccc1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 4CFU - 2WC C20 H23 N5 O3 Cc1c(cccc1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4CFU - 2WC C20 H23 N5 O3 Cc1c(cccc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2WC; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 2WC 1 1
2 75X 0.729412 0.934426
3 SQ9 0.693182 0.7125
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4CFU; Ligand: 2WC; Similar sites found: 352
This union binding pocket(no: 1) in the query (biounit: 4cfu.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3WSJ MK1 0.01872 0.40717 None
2 4FHD 0TT 0.01865 0.40725 2.31023
3 4FHD EEM 0.01865 0.40725 2.31023
4 3KA2 2NC 0.04244 0.40488 2.46305
5 3AKK ADP 0.0009197 0.45156 2.67176
6 2R85 AMP 0.006691 0.4276 2.9703
7 3DNT ATP 0.003209 0.43396 3.05344
8 3X01 AMP 0.0002551 0.43271 3.05344
9 3PN1 IVH 0.0008692 0.4249 3.05344
10 5IH1 GDP 0.02851 0.41306 3.05344
11 5IH1 6BQ 0.02851 0.41306 3.05344
12 5TT5 NAD 0.002846 0.43807 3.30033
13 4P8K 38C 0.03174 0.41214 3.30033
14 2VPQ ANP 0.0003051 0.47996 3.43511
15 4GYI ADP 0.0003353 0.46982 3.43511
16 4NJH SAM 0.02282 0.40297 3.47826
17 4NJH 2K8 0.02282 0.40297 3.47826
18 5W2I ADP 0.0004572 0.47368 3.50195
19 5W2I I3P 0.0004572 0.47368 3.50195
20 3WO0 ALA 0.0008308 0.47932 3.63036
21 3PDT ADP 0.000219 0.47265 3.81679
22 4CC6 L5Y 0.0004724 0.43788 3.81679
23 4J7Q B7N 0.0217 0.40737 3.81679
24 4AXD ANP 0.00008539 0.5279 3.9604
25 3UDZ ADP 0.00003217 0.5184 3.9604
26 4C5N PXL 0.002769 0.45001 3.98551
27 4C5N ACP 0.002608 0.45001 3.98551
28 4O4F ATP 0.006351 0.42161 4.03226
29 4O4F IHP 0.006837 0.42161 4.03226
30 2CFM AMP 0.0001222 0.4687 4.19847
31 2YW2 ATP 0.001292 0.44685 4.19847
32 4U98 ACP 0.0009521 0.44636 4.19847
33 4PZ6 GMP 0.0005077 0.41172 4.29043
34 5JCA NDP 0.03921 0.4139 4.57746
35 5I35 ANP 0.000003187 0.55854 4.58015
36 1IA9 ANP 0.00003045 0.48063 4.58015
37 5IGI GMP 0.008709 0.42799 4.58015
38 5IGI ZIT 0.00916 0.42799 4.58015
39 4OUC 5ID 0.0000001283 0.61813 4.62046
40 4OCJ NDG 0.00002198 0.55686 4.62046
41 2R7K AMZ 0.005078 0.43066 4.62046
42 2PYW ADP 0.00002836 0.52342 4.9505
43 4OCV ANP 0.00004197 0.5131 4.9505
44 5NCY 8TK 0.00098 0.46635 4.96183
45 2V58 LZJ 0.003491 0.45493 5.28053
46 5MW8 ATP 0.00005767 0.51372 5.34351
47 2GQR ADP 0.008344 0.40356 5.48523
48 1GSA ADP 0.00007033 0.5097 5.61056
49 5VZ0 ADP 0.0004358 0.46174 5.72519
50 3TII ANP 0.000953 0.43296 5.94059
51 5GZ9 ANP 0.0000000253 0.67041 6.10687
52 4ANW O92 0.00004445 0.53418 6.10687
53 5C1P ADP 0.0007842 0.44192 6.10687
54 5C1P DAL DAL 0.002533 0.44046 6.10687
55 3ORQ ADP 0.003705 0.4257 6.10687
56 1E4E ADP 0.001918 0.4369 6.27063
57 2Q4W FAD 0.01824 0.41109 6.48855
58 5TDF ADP 0.001131 0.44951 6.60066
59 3ETH ATP 0.003094 0.43119 6.60066
60 3VPD ANP 0.0005045 0.46778 6.76157
61 1S68 AMP 0.001278 0.41488 6.82731
62 4NZN 2OU 0.002142 0.46454 6.87023
63 4NZN ANP 0.002142 0.46454 6.87023
64 1EHI ADP 0.001143 0.44723 6.87023
65 1M0W ANP 0.002351 0.42623 6.87023
66 2IF8 ADP 0.0001518 0.45135 6.88705
67 4AZW ATP 0.0003053 0.47577 6.93069
68 4AZT LY2 0.0009789 0.42901 6.93069
69 3DLG GWE 0.02893 0.42027 6.93069
70 1IOW ADP 0.001184 0.46798 7.26073
71 1IOW PHY 0.001184 0.46798 7.26073
72 5TT6 ATP 0.002771 0.43342 7.26073
73 2HGS ADP 0.001948 0.44237 7.59076
74 1I7L ATP 0.0001427 0.4974 7.63359
75 3TY5 ATP 0.001747 0.42065 7.63359
76 3TY5 ADP 0.004464 0.41368 7.63359
77 2BKK ADP 0.00004987 0.49341 7.69231
78 4LRJ ANP 0.0004105 0.46292 7.69231
79 4XYM A12 0.0007946 0.45448 7.82609
80 1F0X FAD 0.02103 0.41208 7.92079
81 3HAV ATP 0.0001986 0.43473 8.01527
82 4O1P ANP 0.000000002403 0.70403 8.25082
83 3W0O HY0 0.00007323 0.52037 8.25082
84 3W0O ADP 0.00007323 0.52037 8.25082
85 2Q7D ANP 0.002372 0.44342 8.58086
86 4PU5 ANP 0.002137 0.44049 8.58086
87 4GLW 0XT 0.00456 0.40019 8.58086
88 3I0O ADP 0.00001675 0.50571 8.77863
89 4MV1 ADP 0.003594 0.44196 8.77863
90 1CKM GTP 0.007346 0.41194 8.77863
91 5DXT 5H5 0.006909 0.41131 8.77863
92 4FC7 NAP 0.02988 0.408 8.77863
93 4FC7 COA 0.02988 0.408 8.77863
94 1AUX AGS 0.00009321 0.49471 8.91089
95 2VQD AP2 0.0005218 0.46503 8.91089
96 3AIA SAM 0.007524 0.4056 9.00474
97 1UZH CAP 0.01438 0.4001 9.16031
98 4Q5H ANP 0.0001157 0.46785 9.21053
99 1W2D 4IP 0.002401 0.44623 9.43396
100 1W2D ADP 0.0005533 0.44345 9.43396
101 5DMZ ADP 0.000001099 0.58268 9.54198
102 4ZS4 ATP 0.00006715 0.50373 9.54198
103 2AQX ATP 0.004475 0.42373 9.54198
104 3WVR AMP 0.0003103 0.46584 9.92366
105 4AUT FAD 0.01701 0.41668 9.92366
106 3VPB ADP 0.00002998 0.53128 9.92908
107 3VPC ADP 0.0001235 0.49615 9.92908
108 3V4S ATP 0.004406 0.42405 10.3053
109 3V4S ADP 0.01527 0.4149 10.3053
110 1ZTH ADP 0.00000214 0.54193 10.4651
111 1ZP9 ATP 0.00000871 0.53568 10.4651
112 3RE4 TO1 0.000004838 0.5267 10.8527
113 3TDV GDP 0.00003752 0.51274 10.8911
114 1TQP ATP 0.00006538 0.51329 10.9929
115 5TWJ SAM 0.01251 0.40121 11.1111
116 4J4H NAI 0.0376 0.40455 11.1969
117 2QK4 ATP 0.0005664 0.43528 11.2211
118 5K2M ADP 0.0004516 0.47393 11.3208
119 1PK8 ATP 0.00007467 0.51261 11.4504
120 3VOT ADP 0.0001227 0.47083 11.4504
121 5DZT AMP 0.0003204 0.42965 11.4504
122 1T36 ADP 0.002533 0.44361 11.5512
123 5IQD RIO 0.000194 0.51037 11.8812
124 5IQD GNP 0.0001822 0.51037 11.8812
125 1IHU AF3 0.009862 0.40775 11.8812
126 1IHU ADP 0.0107 0.40775 11.8812
127 5CKW ANP 0.000003551 0.53498 12.5413
128 4LO2 GAL BGC 0.01158 0.4101 12.5954
129 3K5I ADP 0.001958 0.40424 13.1514
130 2IO8 ADP 0.00003944 0.52359 13.7405
131 4R78 AMP 0.00001413 0.50509 14.5215
132 5COU ATP 0.001514 0.43722 15.2672
133 2GJ5 VD3 0.006825 0.4343 16.6667
134 4UWH JXM 0.001575 0.43407 16.7939
135 2PUL ACP 0.00003903 0.50923 16.8317
136 4WW7 AMP 0.000003421 0.56845 17.1123
137 4DFU QUE 0.001828 0.45176 18.0124
138 5C4L 4XR 0.00003835 0.53558 18.3801
139 5C4L SIS 0.001798 0.45513 18.3801
140 4OAV ACP 0.000000006627 0.68009 18.4818
141 5LXT ACP 0.003268 0.43187 19.5804
142 4CYI ATP 0.000002458 0.57245 19.802
143 5M06 ADP 0.000001035 0.57733 19.9275
144 5FI4 5XV 0.007519 0.41657 20.9924
145 3LQV ADE 0.01098 0.40769 23.0769
146 3Q60 ATP 0.00003877 0.50936 23.7624
147 4WOV 3SM 0.000001065 0.56713 24.4224
148 5VC5 96M 0.000000008078 0.705 24.9135
149 4BTK DTQ 0.0000003327 0.60635 25.0825
150 4NFN 2KC 0.000003444 0.55701 25.0825
151 5KO1 6UY 0.0000001496 0.61875 25.4417
152 3VHE 42Q 0.0000003163 0.63376 25.7426
153 5C03 AGS 0.0000004817 0.59902 25.7426
154 5W4W 9WG 0.0000002127 0.64418 27.0627
155 4KBA 1QM 0.000002366 0.58771 27.0627
156 4XH0 ADP 0.000003705 0.59137 28.3828
157 2CSN CKI 0.000000006872 0.70562 29.2929
158 4IX4 ADP 0.0000005958 0.60086 29.3729
159 3H9R TAK 0.000001076 0.54478 30.033
160 4EUU BX7 0.000000003981 0.71685 30.6931
161 4IDT T28 0.00000001984 0.65851 30.6931
162 3KRL KRL 0.00000008269 0.6435 30.6931
163 4FL3 ANP 0.00000002904 0.58033 31.0231
164 3PP0 03Q 0.00000005457 0.52275 31.3531
165 3KMW ATP 0.000003016 0.55963 31.7343
166 5HCY 60D 0.00000005572 0.69328 32.0132
167 4P5Z Q7M 0.0000001042 0.67112 32.0132
168 5T8O 76Z 0.00000002483 0.58734 32.0132
169 2OO8 RAJ 0.00006283 0.50978 32.0132
170 4E93 GUI 0.000000001585 0.74909 32.3432
171 4UAL 3FV 0.000000004001 0.69393 32.3432
172 4YMJ 4EJ 0.0000000005241 0.6287 32.3432
173 4Y93 746 0.0000007379 0.6071 32.3432
174 5CEO 50D 0.0000007391 0.59054 32.6667
175 3UIM ANP 0.000000002323 0.7047 32.6733
176 4CLI 5P8 0.00000006514 0.6899 32.6733
177 1U59 STU 0.0000000008967 0.72355 32.7526
178 1VJY 460 0.000000001547 0.74961 33.0033
179 3DLS ADP 0.00000001088 0.66636 33.0033
180 4Y8D 49J 0.0000000283 0.65517 33.0033
181 2R5T ANP 0.00000009314 0.6411 33.0033
182 3LXK MI1 0.000000006185 0.71052 33.3333
183 4U44 3D9 0.00000001659 0.66575 33.3333
184 3NW7 LGV 0.000008318 0.58748 33.3333
185 4FF8 14S 0.00001799 0.50581 33.3333
186 1JPA ANP 0.000000008879 0.47124 33.3333
187 1K3A ACP 0.00000009552 0.61189 33.4448
188 2F2U M77 0.000000003778 0.70964 33.6634
189 5UIU 8CG 0.0000000464 0.67373 33.6634
190 2X2M X2M 0.00000002997 0.66396 33.6634
191 5NKB 8ZT 0.00000001714 0.44935 33.6634
192 2XVD AS6 0.00000009835 0.65577 33.7748
193 4AT3 LTI 0.00000007691 0.6632 33.7793
194 4YZN 4K5 0.0000000004127 0.75383 33.7979
195 5TA6 79D 0.00000001828 0.68814 33.7989
196 5LPZ ADP 0.0000000002007 0.75321 33.9934
197 4OH4 ANP 0.0000000002769 0.74683 33.9934
198 5HES 032 0.00000005225 0.65275 33.9934
199 4I94 ANP 0.0000003467 0.6022 34
200 4GJ3 0XP 0.0000000003688 0.77709 34.106
201 5HX8 66P 0.0000000004612 0.76117 34.106
202 3LXN MI1 0.0000000007432 0.73492 34.3234
203 5AX9 4KT 0.0000000007039 0.72835 34.3234
204 4X7Q 3YR 0.00000000369 0.69553 34.3234
205 3TKI S25 0.000000002362 0.77525 34.6535
206 1U5R ATP 0.0000000007571 0.72279 34.6535
207 5U6C 7YS 0.000000001688 0.72196 34.6535
208 2QLU ADE 0.0000002678 0.66817 34.6535
209 5MJA 7O3 0.0000003124 0.60073 34.6535
210 2HY0 306 0.0000002311 0.59554 34.6535
211 2Y6O 1N1 0.0000003594 0.61388 34.7079
212 5LPB ADP 0.0000000005807 0.69232 34.7973
213 3KRR DQX 0.00000001525 0.74606 34.9153
214 5JFS 6K0 0.0000000007964 0.77938 34.9835
215 5JGA 6KC 0.00000001334 0.70439 34.9835
216 5EOB 5QQ 0.0000002726 0.6716 34.9835
217 3V8S 0HD 0.00000003388 0.64798 34.9835
218 4G17 0VN 0.0000006325 0.58694 34.9835
219 3C1X CKK 0.000004645 0.56229 34.9835
220 3SRV S19 0.0000000003609 0.73737 35.0181
221 3EKK GS2 0.000000001241 0.76353 35.3135
222 3BU5 ATP 0.000000001651 0.71146 35.3135
223 4XLI 1N1 0.00000003511 0.64728 35.4478
224 5TO8 7FM 0.00000001404 0.71584 35.461
225 4F4P 0SB 0.0000002572 0.67785 35.5311
226 1ZY5 ANP 0.0000009057 0.58331 35.6436
227 4E1Z 0MX 0.0000000465 0.65808 35.7388
228 3SLS ANP 0.00000008462 0.64303 35.9736
229 5HVJ ANP 0.00000003006 0.5524 35.9736
230 3FC2 IBI 0.0001058 0.54943 36.1194
231 4N70 2HX 0.00000000946 0.73842 36.3036
232 3CY2 MB9 0.000000002877 0.71447 36.3036
233 4QMN DB8 0.0000000197 0.70268 36.3036
234 4EWH T77 0.0000000432 0.67038 36.3636
235 3PLS ANP 0.000000001925 0.70443 36.5772
236 2GU8 796 0.000000004833 0.76239 36.6337
237 1RE8 BD2 0.00000001021 0.73348 36.6337
238 5LI1 ANP 0.00000000613 0.69595 36.6337
239 3RI1 3RH 0.00000001299 0.69253 36.6337
240 3IDB ANP 0.000000008996 0.69137 36.6337
241 2PVF ACP 0.00000000444 0.68798 36.6337
242 3FHI ANP 0.00000001859 0.68517 36.6337
243 1Y57 MPZ 0.00000001258 0.68457 36.6337
244 2QCS ANP 0.00000002729 0.67727 36.6337
245 2H8H H8H 0.00000004668 0.64526 36.6337
246 4U0I 0LI 0.000001431 0.60434 36.6337
247 4Y0X ADP 0.00000341 0.55401 36.6337
248 2WQN ADP 0.000007748 0.54528 36.6337
249 2PZI AXX 0.0000169 0.52966 36.6337
250 5USZ SKE 0.00000001354 0.69434 36.6782
251 1BYG STU 0.000000001091 0.71132 36.6906
252 4K33 ACP 0.00000001739 0.66834 36.9637
253 4WB7 ATP 0.0000001287 0.66286 36.9637
254 4RFM 3P6 0.000001288 0.63085 37.218
255 5FBN 5WF 0.0000005919 0.62866 37.2694
256 4WB6 ATP 0.00000003076 0.67481 37.2937
257 1OPK P16 0.0000001892 0.64663 37.6238
258 5MY8 RXZ 0.000001126 0.59845 37.9538
259 4A4X JUP 0.00000003386 0.67283 37.9928
260 3GQI ACP 0.000000002655 0.70205 38.2838
261 5UR1 YY9 0.00000004985 0.69401 38.2838
262 2A19 ANP 0.0000000257 0.67027 38.3803
263 4NW6 2NS 0.000000001144 0.75593 38.6139
264 5JKG 6LF 0.000001637 0.61232 38.6139
265 3G5D 1N1 0.00000002871 0.72284 38.8112
266 2Z7R STU 0.0000000000573 0.6693 38.9439
267 3GNI ATP 0.00000006051 0.57146 38.9439
268 4Y85 499 0.000002596 0.56258 38.9439
269 3FHR P4O 0.0000002821 0.56139 38.9439
270 3M2W L8I 0.000000005939 0.66473 39.1304
271 3E8N ATP 0.0000001182 0.67857 39.2739
272 3E8N VRA 0.0006387 0.52381 39.2739
273 4G31 0WH 0.0000006787 0.62388 39.4649
274 4OTH DRN 0.000000006013 0.69634 39.604
275 4ASE AV9 0.0000004517 0.6219 39.604
276 3ORK AGS 0.00001359 0.54748 39.604
277 4AG8 AXI 0.0000002884 0.44092 39.604
278 5H2U 1N1 0.0000008831 0.58701 39.7004
279 5DA3 58V 0.00000009293 0.6009 40
280 4WNP 3RJ 0.00000000001673 0.77421 40.4181
281 5VCV 1N1 0.0000000005728 0.75049 40.5941
282 4I6H 1C8 0.0000002277 0.57856 40.5941
283 4XV1 904 0.00000001782 0.70054 40.7534
284 4M69 ANP 0.0000002421 0.61892 41.2541
285 4L9I 8PR 0.00008931 0.49294 41.2541
286 4BHN BH9 0.000000002975 0.70711 41.5842
287 3VRY B43 0.0000009093 0.49277 41.5842
288 2OFV 242 0.000000008416 0.72071 41.8773
289 5N87 N66 0.000000001918 0.75208 41.9142
290 4TWP AXI 0.000000002038 0.76678 42.0664
291 3HMO STU 0.000000002205 0.70175 42.2442
292 4FG8 ATP 0.000002454 0.57248 42.2442
293 3ALN ANP 0.00000004049 0.65477 42.5743
294 4CQE CQE 0.00000007274 0.64608 42.8058
295 4YZC STU 0.0000000003546 0.79019 42.9043
296 5IH9 6BF 0.0000001036 0.66747 42.9043
297 3QCQ 3Q0 0.00000002263 0.75627 43.2343
298 5LVP ATP 0.000000113 0.60931 43.2343
299 4BKJ STI 0.00002611 0.53411 43.2343
300 3KN5 ANP 0.00000003687 0.62953 43.5644
301 4CSV STI 0.000000564 0.6075 43.6364
302 4D2S DYK 0.000000003635 0.67294 43.662
303 4JR7 GNP 0.000000011 0.67389 43.8944
304 2V7O DRN 0.000000001023 0.66392 43.8944
305 5JZJ AN2 0.000000004544 0.68752 44.1077
306 2VZ6 FEF 0.0000002479 0.59516 44.2244
307 4DC2 ADE 0.00000002728 0.5516 44.2244
308 5LI9 ACP 0.000001486 0.53147 44.2244
309 3MVH WFE 0.000000008232 0.70973 44.5545
310 4BFM ANP 0.00000001329 0.6771 44.5545
311 2WEL K88 0.00000002057 0.57943 44.5545
312 2VN9 GVD 0.000000006352 0.63349 44.8505
313 4KS7 X4Z 0.000000047 0.65786 44.863
314 3PVW QRX 0.00000554 0.56803 44.8845
315 5UKL SIX 0.00009029 0.5125 44.8845
316 2F57 23D 0.0000002601 0.60431 45.2145
317 2XK9 XK9 0.00000007394 0.67462 45.5446
318 4WNK 453 0.000000571 0.62145 45.5446
319 5UOX 8GY 0.000000001807 0.72057 45.7565
320 1XJD STU 0.0000000005748 0.73631 45.8746
321 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.00000006767 0.70512 45.8746
322 2JDR L20 0.00000006767 0.70512 45.8746
323 4JDI ANP 0.00000004651 0.65199 45.8746
324 5DBX ANP 0.0000009482 0.56773 46.2046
325 3DAK ANP 0.0000009374 0.57926 46.2069
326 5DRB 5FJ 0.00001678 0.57219 46.3918
327 3GGF GVD 0.00000002548 0.64972 46.5116
328 4F9C 0SX 0.0000002371 0.60968 46.5347
329 2HK5 1BM 0.0000001122 0.63433 46.6667
330 2J7T 274 0.00000007758 0.66302 46.6887
331 3AQV TAK 0.000003565 0.55937 46.7391
332 2X4Z X4Z 0.0000003007 0.64297 46.9595
333 4L3L 5FI 0.00000003718 0.67834 47.1947
334 1PHK ATP 0.0000000004489 0.74124 47.3154
335 3TXO 07U 0.00000006297 0.63204 47.5248
336 2ZV2 609 0.00000001295 0.68434 47.651
337 3C0G 3AM 0.000000009501 0.65421 47.8548
338 2YAB AMP 0.0000001542 0.62485 47.8548
339 1Q8Y ADP 0.000000001992 0.71515 48.1848
340 1Q8Y ADE 0.00000008791 0.58693 48.1848
341 3SXS PP2 0.0000002723 0.61656 48.5075
342 5X8I SQZ 0.000000001502 0.71333 48.5149
343 4USF 6UI 0.000002294 0.58153 48.5149
344 3SXF BK5 0.000007007 0.57642 48.5149
345 3IGO ANP 0.0000008193 0.51974 48.5149
346 4IJP 1EH 0.00000000008194 0.77913 48.8449
347 2WU6 DKI 0.0000000002257 0.76605 48.8449
348 5DEY 59T 0.0000001493 0.68361 49.1582
349 5DH3 5BS 0.00000009957 0.63673 49.505
350 3HZT J60 0.000001658 0.5475 49.505
351 2YAK OSV 0.0000002225 0.64108 49.8246
352 4YLL 4E3 0.000000609 0.60595 49.835
Pocket No.: 2; Query (leader) PDB : 4CFU; Ligand: 2WC; Similar sites found: 20
This union binding pocket(no: 2) in the query (biounit: 4cfu.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4ZGP ADP 0.01088 0.40215 2.29008
2 3ZS7 ATP 0.009906 0.4132 2.67176
3 2YRX AMP 0.002224 0.40287 3.63036
4 4KWI NAP 0.03485 0.40614 4.94297
5 2P3C 3TL 0.037 0.40207 5.05051
6 4I53 1C1 0.01412 0.40068 6.27063
7 2GAG FOA 0.02489 0.41794 6.93069
8 2GAG FAD 0.02489 0.41794 6.93069
9 1WDD CAP 0.01568 0.4003 7.03125
10 1D2N ANP 0.01185 0.40609 7.35294
11 1TZD ADP 0.0002991 0.40934 8.72727
12 2V67 CAP 0.01243 0.40683 9.16031
13 2V6A CAP 0.01391 0.40279 9.16031
14 1UZD CAP 0.01549 0.40224 9.16031
15 2VDH CAP 0.01577 0.40188 9.16031
16 2V63 CAP 0.01598 0.4016 9.16031
17 1JXZ BCA 0.01568 0.41082 11.0687
18 1NZY BCA 0.01757 0.40838 11.0687
19 3O9L LPN 0.03951 0.40244 12.5
20 1BWV CAP 0.01194 0.40413 17.3913
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